SCHEMBL4459735

SCHEMBL4459735

CCCc1cccc(OP(=O)(O)C=O)c1CCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.40
LTB4R2 Q9NPC1 3/20 0.40
SRC P12931 2/20 0.35
INPPL1 O15357 1/20 0.33
INPP5B P32019 1/20 0.33
INPP5A Q14642 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
ELANE P08246 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
PPARA Q07869 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
PPARD Q03181 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4455499 0.89 ALOX5 (0.40) LTB4RLTB4R2SRCALOX5PTGS2
SCHEMBL30523469 0.85 INPPL1 (0.49) LTB4RLTB4R2SRCINPPL1INPP5B
SCHEMBL5959297 0.85 INPPL1 (0.49) LTB4RLTB4R2SRCINPPL1INPP5B
SCHEMBL4454048 0.84 SRC (0.37) SRCINPPL1INPP5BINPP5AHTR2A
SCHEMBL4460758 0.84 LTB4R (0.42) LTB4RLTB4R2INPPL1INPP5BINPP5A
SCHEMBL4455068 0.83 LTB4R (0.39) LTB4RLTB4R2SRCINPPL1INPP5B
SCHEMBL4446405 0.82 LTB4R (0.41) LTB4RLTB4R2INPPL1INPP5BINPP5A
SCHEMBL11807298 0.82 LTB4R (0.42) LTB4RLTB4R2ALOX5PTGS2ELANE
SCHEMBL4449947 0.81 LTB4R (0.37) LTB4RLTB4R2SRCINPPL1INPP5B
SCHEMBL4458047 0.81 LTB4R (0.41) LTB4RLTB4R2INPPL1INPP5BINPP5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed